pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate

C14H13BrN2O4S — CID 55527991

IUPACpyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1cccc(Br)c1)OCc1ccccn1
InChIInChI=1S/C14H13BrN2O4S/c15-11-4-3-6-13(8-11)22(19,20)17-9-14(18)21-10-12-5-1-2-7-16-12/h1-8,17H,9-10H2
InChIKeyVZNWAVMLOIPSBE-UHFFFAOYSA-N
MW385.24 g/mol
LogP1.87
Rot. Bonds6

About pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate

pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate (PubChem CID 55527991) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate
PubChem CID55527991
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC Namepyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1cccc(Br)c1)OCc1ccccn1
InChIInChI=1S/C14H13BrN2O4S/c15-11-4-3-6-13(8-11)22(19,20)17-9-14(18)21-10-12-5-1-2-7-16-12/h1-8,17H,9-10H2
InChIKeyVZNWAVMLOIPSBE-UHFFFAOYSA-N
XLogP1.87
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate
CID 18136103
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benzyl 2-[(3-methylphenyl)sulfonylamino]acetate
CID 3735123
ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258635
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
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2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(3-bromophenyl)sulfonylamino]acetate
CID 42976735
(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 1218601
3-bromo-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
CID 4112319
3-[(3-bromophenyl)sulfonylamino]propanamide
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CID 26543777

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate?
The IUPAC name of pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate (CID 55527991) is pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate.
What is the SMILES notation for pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate?
The canonical SMILES for pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1cccc(Br)c1)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate?
The InChIKey is VZNWAVMLOIPSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c15-11-4-3-6-13(8-11)22(19,20)17-9-14(18)21-10-12-5-1-2-7-16-12/h1-8,17H,9-10H2.
What are the key properties of pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate?
pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate has a molecular weight of 385.24 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-[(3-bromophenyl)sulfonylamino]acetate is sourced from PubChem (CID 55527991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).